⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL787773 | 0.73 | — | — | |
| SCHEMBL15091634 | 0.69 | — | — | |
| SCHEMBL20522791 | 0.65 | — | — | |
| SCHEMBL9000374 | 0.65 | — | — | |
| SCHEMBL9161862 | 0.63 | — | — | |
| SCHEMBL10675428 | 0.61 | — | — | |
| SCHEMBL7623717 | 0.61 | — | — | |
| SCHEMBL6370939 | 0.60 | — | — | |
| SCHEMBL916716 | 0.58 | — | — | |
| SCHEMBL2962932 | 0.58 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180141964-A1 | FUNCTIONALIZED CYANOSILANE AND SYNTHESIS METHOD AND USE THEREOF | EAST CHINA NORMAL UNIVERSITY (CN) | 2018-05-24 | — | — | US | disclosed |